Cycloheptane (C7H14)

Cycloheptane presents a C7 framework (formula C7H14, CAS 291-64-5). ChemicalHelper Reaction can propose ranked disconnections for Cycloheptane from the SMILES C1CCCCCC1.

Target: Cycloheptane
CAS: 291-64-5
Formula: C7H14
Approx. MW: 98.19
SMILES: C1CCCCCC1
PubChem CID: 9265
Approx. carbons: C7

Cycloheptane structure

Properties

IUPAC name: cycloheptane
Common names: CYCLOHEPTANE; 291-64-5; Suberane; Heptamethylene; UNII-VTZ53P34JA; VTZ53P34JA; HSDB 59; NSC-5164; EINECS 206-030-2; DTXSID0074269
Molecular weight: 98.19
Exact mass: 98.11
InChIKey: DMEGYFMYUHOHGS-UHFFFAOYSA-N
Melting point: 10.4 °F (USCG, 1999)
Boiling point: 245.3 °F at 760 mmHg (USCG, 1999)
Density: 0.811 (USCG, 1999) - Less dense than water; will float

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Cycloheptane 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of Cycloheptane?

Cycloheptane has molecular formula C7H14. Molecular weight about 98.19 g·mol⁻¹.

What is the CAS number of Cycloheptane?

The CAS Registry Number for Cycloheptane is 291-64-5.

Run AI retrosynthesis for Cycloheptane Target catalog AI tools overview

Open the planner with Cycloheptane preloaded, then keep routes that match CAS 291-64-5.

Related targets

Similar compounds

3-Methyl-1-Hexene 4-Methyl-1-Hexene Methylcyclohexane

Browse the full target catalog

References & tools

ChemicalHelper Reaction — AI retrosynthesis with optional library evidence.
PubChem — compound identifiers and structure depictions (NIH/NCBI).
Related: AiZynthFinder / synthesis planning literature for computer-aided retrosynthesis.